SCHEMBL16319350

SCHEMBL16319350

COC(=O)c1cnc(OC)c(CCC#N)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.38
ATM Q13315 1/20 0.38
SLC13A5 Q86YT5 2/20 0.38
SLC13A2 Q13183 1/20 0.38
SLC13A3 Q8WWT9 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PSMD14 O00487 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
GRM5 P41594 1/20 0.34
GABRA5 P31644 1/20 0.34
NMT1 P30419 1/20 0.34
VNN1 O95497 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16319374 0.85 MAPK1 (0.39) MAPK1ATMGAAALDH1A1KDM4E
SCHEMBL16318860 0.82 MAPK1 (0.33) MAPK1ATMSLC13A5SLC13A2SLC13A3
SCHEMBL28483874 0.82 MAPK1 (0.41) MAPK1ATMSLC13A5SLC13A2SLC13A3
SCHEMBL24934082 0.81 MAPK1 (0.45) MAPK1ATMSLC13A5SLC13A2SLC13A3
SCHEMBL31133147 0.80 ATM (0.47) MAPK1ATMSLC13A5SLC13A2SLC13A3
SCHEMBL31682840 0.79 MAPK1 (0.42) MAPK1ATMSLC13A5SLC13A2SLC13A3
SCHEMBL4393302 0.79 MAPK1 (0.42) MAPK1ATMSLC13A5SLC13A2SLC13A3
SCHEMBL1424992 0.76 MAPK1 (0.41) MAPK1ATMSLC13A5SLC13A2SLC13A3
SCHEMBL31133019 0.76 GAA (0.55) MAPK1ATMGAAALDH1A1KDM4E
SCHEMBL31132686 0.76 GAA (0.55) MAPK1ATMGAAALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 MAPK1 531/4885ATM 3394/4885SLC13A5 700/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.